CID 929930

Dtxsid701136560

Structural Information

Molecular Formula
C15H17BrN4O
SMILES
CC1=C(C(=NN1)C)CCC(=O)NN=CC2=CC(=CC=C2)Br
InChI
InChI=1S/C15H17BrN4O/c1-10-14(11(2)19-18-10)6-7-15(21)20-17-9-12-4-3-5-13(16)8-12/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
SMWDVUYGCMNXNY-UHFFFAOYSA-N
Compound name
N-[(3-bromophenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.05856 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06584 172.6
[M+Na]+ 371.04778 182.7
[M-H]- 347.05128 179.5
[M+NH4]+ 366.09238 188.4
[M+K]+ 387.02172 169.5
[M+H-H2O]+ 331.05582 169.2
[M+HCOO]- 393.05676 193.9
[M+CH3COO]- 407.07241 211.9
[M+Na-2H]- 369.03323 176.3
[M]+ 348.05801 191.3
[M]- 348.05911 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.